rel-(9aR,11R,12aS)-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
rel-(9aR,11R,12aS)-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S731-0078 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 405.97 |
| Molecular Formula: | C22 H31 N3 O2 |
| Salt: | HCl |
| Smiles: | [H]N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7943 |
| logD: | -1.5402 |
| logSw: | -2.5393 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.607 |
| InChI Key: | XWNFHCYHGNJQKO-AQNXPRMDSA-N |